SCHEMBL989359

SCHEMBL989359

CC(C)n1c(N)nc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.59
CYP3A4 P08684 1/20 0.52
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
GCGR P47871 1/20 0.47
RAF1 P04049 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL989502 0.81 MAPK14 (0.47) MAPK14CYP3A4
SCHEMBL5771483 0.78 MAPK14 (0.91) MAPK14CYP3A4
SCHEMBL4839556 0.76 MAPK14 (0.86) MAPK14CYP3A4
SCHEMBL989325 0.76 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL989324 0.76 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL5774501 0.75 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5768576 0.75 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL4840145 0.74 MAPK14 (0.78) MAPK14CYP3A4
SCHEMBL5773153 0.74 MAPK14 (0.78) MAPK14CYP3A4
SCHEMBL5769616 0.73 MAPK14 (0.80) MAPK14CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPK14 341/4885CYP3A4 3973/4885MAPK13 249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.